SCHEMBL2500159

SCHEMBL2500159

CCC(C)COc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.61
LMNA P02545 1/20 0.61
MAOA P21397 1/20 0.55
PTGS1 P23219 1/20 0.55
GPR88 Q9GZN0 5/20 0.50
GPBAR1 Q8TDU6 1/20 0.50
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
CYP2D6 P10635 1/20 0.49
ADRB3 P13945 1/20 0.49
SCN4A P35499 2/20 0.48
LTA4H P09960 1/20 0.47
TLR8 Q9NR97 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28294103 1.00 FFAR1 (0.61) FFAR1LMNAMAOAPTGS1GPR88
Anisole SCHEMBL28132815 0.92 FFAR1 (0.55) FFAR1LMNAMAOAPTGS1GPR88
SCHEMBL4976110 0.92 FFAR1 (0.59) FFAR1LMNAMAOAPTGS1GPR88
SCHEMBL13385106 0.89 LMNA (0.68) FFAR1LMNAMAOAPTGS1MTNR1A
SCHEMBL17138170 0.85 GPBAR1 (0.60) FFAR1LMNAGPBAR1MTNR1AMTNR1B
SCHEMBL27330236 0.83 LMNA (0.57) LMNAMAOAPTGS1GPR88
SCHEMBL10705795 0.83 FFAR1 (0.53) FFAR1LMNAGPR88GPBAR1CYP2D6
SCHEMBL10705801 0.83 FFAR1 (0.53) FFAR1LMNAGPR88GPBAR1CYP2D6
SCHEMBL9640139 0.82 FFAR1 (0.65) FFAR1GPR88
SCHEMBL9639286 0.81 FFAR1 (0.52) FFAR1LMNAMAOAPTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124332-A AN ENZYME INHIBITOR FOR THE TREATMENT OR PROPHYLAXIS OF TISSUE BREAKDOWN, FOR EXAMPLE RHEUMATOID ARTHRITIS, OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR, MULTIPLE SCLEROSIS BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2000-09-26 US claimed
US-6022898-A ALPHA-SULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACIDS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-02-08 US claimed
EP-0766665-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1999-07-28 EP claimed
EP-0766665-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-04-09 EP claimed
EP-0766664-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-04-09 EP claimed
WO-1995035275-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-12-28 WO claimed
WO-1995035276-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-12-28 WO claimed
US-10932995-B2 Dental composition with high E-modulus 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-03-02 US disclosed
US-20200360241-A1 DENTAL COMPOSITION WITH HIGH E-MODULUS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2020-11-19 US disclosed
CN-109804481-A Organic photodetector 默克专利有限公司 2019-05-24 CN disclosed
CN-109791987-A Organic semiconductor compound 默克专利有限公司 2019-05-21 CN disclosed
CN-109790176-A Organic semiconductor compound 默克专利有限公司 2019-05-21 CN disclosed
CN-108570420-A The recombinant production system of aromatic molecules RHO可再生股份有限公司 2018-09-25 CN disclosed
CN-1141441-A Optical device for frequency conversion DU PONT (US) 1997-01-29 CN disclosed
WO-1995035276-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-12-28 WO disclosed
WO-1995035275-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-12-28 WO disclosed
CN-1054587-A Fluorinated sulfones/ketones for nonlinear optics DU PONT (US) 1991-09-18 CN disclosed
EP-0275007-A2 Process for the preparation of highly molecular, optionally branched polyarylene sulfides BAYER AG (DE) 1988-07-20 EP disclosed
US-4393241-A Synthesis of alkoxy and phenoxy substituted aryl sulfides CELANESE CORPORATION (US) 1983-07-12 US disclosed
EP-0006718-B1 1.2.4-TRIAZOLIDINE-3.5-DIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1983-03-30 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10932995-B2 Dental composition with high E-modulus ELL, BRD4, FHIT FFAR1 3589/4885LMNA 2301/4885MAOA 394/4885
US-20200360241-A1 DENTAL COMPOSITION WITH HIGH E-MODULUS ELL, BRD4, FHIT FFAR1 3589/4885LMNA 2301/4885MAOA 394/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.